5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide

C27H23FN6O2 — CID 155318262

IUPAC5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1nc(C(N)=O)ccc1-c1c(C(C)(C)CC#N)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C27H23FN6O2/c1-27(2,10-11-29)24-23(18-8-9-20(25(30)35)32-26(18)36-3)19-13-21-15(14-31-33-21)12-22(19)34(24)17-6-4-16(28)5-7-17/h4-9,12-14H,10H2,1-3H3,(H2,30,35)(H,31,33)
InChIKeyBYYGPQNCYQDQIG-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.01
Rot. Bonds6

About 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide

5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide (PubChem CID 155318262) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide
PubChem CID155318262
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1nc(C(N)=O)ccc1-c1c(C(C)(C)CC#N)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C27H23FN6O2/c1-27(2,10-11-29)24-23(18-8-9-20(25(30)35)32-26(18)36-3)19-13-21-15(14-31-33-21)12-22(19)34(24)17-6-4-16(28)5-7-17/h4-9,12-14H,10H2,1-3H3,(H2,30,35)(H,31,33)
InChIKeyBYYGPQNCYQDQIG-UHFFFAOYSA-N
XLogP5.01
TPSA122.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
The IUPAC name of 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide (CID 155318262) is 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide is COc1nc(C(N)=O)ccc1-c1c(C(C)(C)CC#N)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.
What is the InChIKey of 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
The InChIKey is BYYGPQNCYQDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-27(2,10-11-29)24-23(18-8-9-20(25(30)35)32-26(18)36-3)19-13-21-15(14-31-33-21)12-22(19)34(24)17-6-4-16(28)5-7-17/h4-9,12-14H,10H2,1-3H3,(H2,30,35)(H,31,33).
What are the key properties of 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155318262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).